PUBCHEM-ZINC06247435 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.3540 0.6400 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 0.8310 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 2.8290 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 3.3310 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 4.8560 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 5.2430 -0.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 6.5810 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 7.6060 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 8.9600 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 9.2700 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 8.2420 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 6.9010 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 5.8380 -2.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 6.1190 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 10.7010 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 11.5800 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 10.0550 0.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3920 9.9510 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 10.0470 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 9.3210 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 9.4080 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 10.2100 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 10.9080 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 10.8560 -0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.4400 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.9720 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 0.9000 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.1360 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.2580 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 1.2720 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 3.1350 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 3.2070 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 2.9750 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 2.9430 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 5.2280 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 5.2430 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 7.3600 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 8.5160 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 6.7050 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 5.1650 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 6.6200 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 11.0650 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 10.7580 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 12.6350 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 11.2890 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 8.7110 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 8.8600 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3370 10.2920 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 11.5480 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2330 1.3190 2.0610 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1990 1.0180 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 11.4530 0.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6630 11.7290 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 12.0980 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 50 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 50 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 52 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 50 1 M CHG 1 52 1 M END